8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C18H10Br2N2O2 — CID 71818791

IUPAC8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(Br)cc2c2c1C(=O)N(c1ccc(Br)cc1)C2=O
InChIInChI=1S/C18H10Br2N2O2/c1-9-15-16(13-8-11(20)4-7-14(13)21-9)18(24)22(17(15)23)12-5-2-10(19)3-6-12/h2-8H,1H3
InChIKeyKPCMDHZZERFRHO-UHFFFAOYSA-N
MW446.10 g/mol
LogP4.87
Rot. Bonds1

About 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 71818791) has the molecular formula C18H10Br2N2O2 and a molecular weight of 446.10 g/mol. Its IUPAC name is 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID71818791
Molecular FormulaC18H10Br2N2O2
Molecular Weight446.10 g/mol
Exact Mass443.91
IUPAC Name8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(Br)cc2c2c1C(=O)N(c1ccc(Br)cc1)C2=O
InChIInChI=1S/C18H10Br2N2O2/c1-9-15-16(13-8-11(20)4-7-14(13)21-9)18(24)22(17(15)23)12-5-2-10(19)3-6-12/h2-8H,1H3
InChIKeyKPCMDHZZERFRHO-UHFFFAOYSA-N
XLogP4.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.10
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154346
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71819080
8-chloro-2-(2-chlorophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71818927
4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422576
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
6-bromo-3,4-diethyl-2-methylquinoline
CID 125452623
[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone
CID 11617905
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
6-bromo-3-ethyl-2-methylquinoline-4-thiolate
CID 7362102
6-bromo-4-chloroquinolin-2-amine
CID 154853425
6-bromo-2-methyl-3-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]quinoline
CID 12001725

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 71818791) is 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(Br)cc2c2c1C(=O)N(c1ccc(Br)cc1)C2=O.
What is the InChIKey of 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is KPCMDHZZERFRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2N2O2/c1-9-15-16(13-8-11(20)4-7-14(13)21-9)18(24)22(17(15)23)12-5-2-10(19)3-6-12/h2-8H,1H3.
What are the key properties of 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 446.10 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 71818791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).